methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate

C18H21NO2 — CID 66096402

IUPACmethyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate
SMILESCOC(=O)CC(C)(CN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(13-19,12-17(20)21-2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13,19H2,1-2H3
InChIKeyYMYVANKCIKCJAV-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.13
Rot. Bonds5

About methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate

methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate (PubChem CID 66096402) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate
PubChem CID66096402
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate
SMILESCOC(=O)CC(C)(CN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(13-19,12-17(20)21-2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13,19H2,1-2H3
InChIKeyYMYVANKCIKCJAV-UHFFFAOYSA-N
XLogP3.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-chloro-3-(4-phenylphenyl)butanoate
CID 54379979
methyl 4-amino-3-methyl-3-thiophen-3-ylbutanoate
CID 66097243
methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate
CID 66098092
methyl 3-(aminomethyl)-4-methyl-3-phenylpentanoate
CID 66096815
dimethyl (3R)-3-methyl-3-(4-methylphenyl)hexanedioate
CID 11033191
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
2-methyl-2-(4-phenylphenyl)propan-1-amine
CID 56687090
2-(4-phenylphenyl)propan-2-yloxymethanamine
CID 155337382
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
methyl 3,3-dimethyl-4-oxo-4-phenylbutanoate
CID 57437539
methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate
CID 66099026
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate?
The IUPAC name of methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate (CID 66096402) is methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate.
What is the SMILES notation for methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate?
The canonical SMILES for methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate is COC(=O)CC(C)(CN)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate?
The InChIKey is YMYVANKCIKCJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(13-19,12-17(20)21-2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13,19H2,1-2H3.
What are the key properties of methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate?
methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate has a molecular weight of 283.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-methyl-3-(4-phenylphenyl)butanoate is sourced from PubChem (CID 66096402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).